MolScore-Antivirals identifies and prioritises novel antiviral substances at the earliest stage through analysing the chemical structure of a drug candidate, its ADME characteristics and its molecular targets. The expert system has been validated with novel antiviral compounds which are now in clinical trials.

The expert system uses a number of different strategies to find novel molecules with antiviral activity. Different models like neural networks, decision-trees, structure-ADME-relations, pharmacophore models and affinity prediction to antiviral drug targets have been included. It is complicated to calculate but easy to use!

MolScore-Antivirals is an expert system, which can detect molecules with antiviral activity. The expert system analyses the probability of a compound to become an antiviral drug and is defined as a value between 0 and 1.